⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18319836 | 0.79 | DDB1 (0.30) | — | |
| SCHEMBL20571915 | 0.79 | DDB1 (0.30) | — | |
| SCHEMBL22798987 | 0.73 | PPM1D (0.30) | — | |
| SCHEMBL30833173 | 0.73 | PPM1D (0.30) | — | |
| SCHEMBL29715671 | 0.67 | NAMPT (0.30) | — | |
| SCHEMBL15155193 | 0.66 | HRH3 (0.33) | — | |
| SCHEMBL22799622 | 0.66 | EPHX2 (0.40) | — | |
| SCHEMBL20572226 | 0.66 | CRBN (0.35) | — | |
| SCHEMBL18319614 | 0.65 | NAMPT (0.31) | — | |
| SCHEMBL16914486 | 0.65 | NAMPT (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3753941-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Blueray Biopharma Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |